====== IWR1 50μM R08 exp495 ====== ==== Mechanism of Action ==== Stabilizes axin complex, inhibits Wnt/β-catenin signaling, also inhibits tankyrase * **Class / Subclass 1:** Signal Transduction / Other Inhibitor ==== Technical Notes ==== * **PubChem Name:** %%IWR-1-endo%% * **Synonyms:** endo-IWR 1; IWR-1-endo * **CAS #:** 1127442-82-3 * **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/44483163|44483163]] * **IUPAC:** %%4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-8-ylbenzamide%% * **INCHI Name:** InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20-,21+ * **INCHI Key:** ZGSXEXBYLJIOGF-ALFLXDJESA-N * **Molecular Weight:** 409.4 * **Canonical SMILES:** C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6 * **Isomeric SMILES:** C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6 * **Molecular Formula:** KLTFYLKTLENAQAQQTTLSLAIF {{:chemogenomics:structures:chem-0303.svg?nolink}} * **Supplier Name:** Med Chem Express * **Catalog #:** HY-12238 * **Lot #:** 12245 * **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C25H19N3O3 410.14992; found 410.15127 * **Platform ID:** IWR1 * **Min:** -6.6055; **Max:** 35.5116 {{:chemogenomics:dose_response:dr_550.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |N/A | | IC30 |N/A | | IC40 |N/A | | IC50 |N/A | | IC60 |N/A | | IC70 |N/A | | IC80 |N/A | | IC90 |N/A | \\ ==== Screen Summary ==== * **Round**: 08 * **Dose**: 50µM * **Days of incubation**: 8 * **Doublings**: 4.4 * **Numbers of reads**: 16401227 ==== Screen Results ==== ^Sensitive/Resistant hits (FDR<0.05)^CRANKS^Score Plot^Top 30 Genes^Screen Similarity^Top 30 Sensitive GO terms^Top 30 Resistant GO terms^ |5/0|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/IWR1_50uM_Round-8_exp495.txt|Scores]]|||||| {{:chemogenomics:cranks_plots:exp495.png?nolink}} ^Gene^CRANKS Score^FDR^ |[[:human_genes:S:SLC7A5|SLC7A5]]|-3.27|<0.01| |[[:human_genes:K:KIAA1432|KIAA1432]]|-2.91|0.02| |[[:human_genes:S:SLC5A3|SLC5A3]]|-2.88|0.02| |[[:human_genes:P:PRKAA1|PRKAA1]]|-2.78|0.02| |[[:human_genes:R:RSRC2|RSRC2]]|-2.76|0.45| |[[:human_genes:S:SPTLC2|SPTLC2]]|-2.64|0.03| |[[:human_genes:G:GRIA1|GRIA1]]|-2.28|0.21| |[[:human_genes:O:OR56A4|OR56A4]]|-2.27|0.21| |[[:human_genes:P:POLR2J2|POLR2J2]]|-2.26|0.75| |[[:human_genes:V:VPS25|VPS25]]|-2.25|0.67| |[[:human_genes:S:SCAP|SCAP]]|-2.24|0.22| |[[:human_genes:A:ATP2A2|ATP2A2]]|-2.22|0.79| |[[:human_genes:C:CKMT1B|CKMT1B]]|-2.16|0.31| |[[:human_genes:C:CALML4|CALML4]]|-2.16|0.45| |[[:human_genes:P:PLA2G4E|PLA2G4E]]|-2.14|0.31| |[[:human_genes:D:DARS2|DARS2]]|-2.13|0.64| |[[:human_genes:P:PCMT1|PCMT1]]|-2.10|0.33| |[[:human_genes:D:DDHD2|DDHD2]]|-2.08|0.33| |[[:human_genes:R:RC3H1|RC3H1]]|-2.07|0.33| |[[:human_genes:N:NIM1|NIM1]]|-2.07|0.33| |[[:human_genes:R:RNASE9|RNASE9]]|-2.06|0.33| |[[:human_genes:F:FNTB|FNTB]]|-2.04|0.45| |[[:human_genes:P:PITPNB|PITPNB]]|-2.04|0.35| |[[:human_genes:S:SNX18|SNX18]]|-2.01|0.37| |[[:human_genes:A:ALG5|ALG5]]|-2.01|0.37| |[[:human_genes:T:TAC4|TAC4]]|-2.00|0.45| |[[:human_genes:L:LSM1|LSM1]]|-1.96|0.45| |[[:human_genes:G:GLCE|GLCE]]|-1.95|0.45| |[[:human_genes:Y:YTHDC2|YTHDC2]]|-1.95|0.53| |[[:human_genes:T:TCP11X2|TCP11X2]]|-1.94|0.45| |[[:human_genes:M:MZT2A|MZT2A]]|1.99|0.33| |[[:human_genes:E:ELP6|ELP6]]|1.99|0.33| |[[:human_genes:C:CD19|CD19]]|1.99|0.39| |[[:human_genes:N:NEK5|NEK5]]|1.99|0.39| |[[:human_genes:B:BCOR|BCOR]]|2.01|0.33| |[[:human_genes:S:SPI1|SPI1]]|2.02|0.38| |[[:human_genes:T:TBCC|TBCC]]|2.02|0.79| |[[:human_genes:F:F12|F12]]|2.04|0.33| |[[:human_genes:A:ASIC2|ASIC2]]|2.06|0.33| |[[:human_genes:T:TDRD3|TDRD3]]|2.08|0.33| |[[:human_genes:A:ARID4B|ARID4B]]|2.08|0.34| |[[:human_genes:D:DNAH17|DNAH17]]|2.12|0.33| |[[:human_genes:M:MIEN1|MIEN1]]|2.13|0.31| |[[:human_genes:K:KIAA1210|KIAA1210]]|2.14|0.31| |[[:human_genes:P:PABPC1|PABPC1]]|2.14|0.33| |[[:human_genes:K:KSR1|KSR1]]|2.16|0.33| |[[:human_genes:D:DLEC1|DLEC1]]|2.18|0.33| |[[:human_genes:N:NDUFA13|NDUFA13]]|2.19|0.36| |[[:human_genes:R:RFC2|RFC2]]|2.22|0.73| |[[:human_genes:C:CTR9|CTR9]]|2.22|0.33| |[[:human_genes:M:MEIS3|MEIS3]]|2.24|0.24| |[[:human_genes:N:NR2C2AP|NR2C2AP]]|2.32|0.27| |[[:human_genes:S:SSX2IP|SSX2IP]]|2.33|0.21| |[[:human_genes:G:GLRX3|GLRX3]]|2.38|0.24| |[[:human_genes:T:TBRG4|TBRG4]]|2.47|0.21| |[[:human_genes:A:ANKRD40|ANKRD40]]|2.52|0.24| |[[:human_genes:T:TPX2|TPX2]]|2.56|0.21| |[[:human_genes:R:RPL11|RPL11]]|2.62|0.33| |[[:human_genes:C:CADPS|CADPS]]|2.69|0.21| |[[:human_genes:G:GLTSCR2|GLTSCR2]]|2.77|0.21| ^Screen^Correlation^Plot^ |[[:results:exp149|SB203580 25μM R03 exp149]]|0.054|| {{:chemogenomics:comparison_plots:exp149_vs_exp495.png?nolink |}} No GO term hits below threshold. (FDR <0.05) No GO term hits below threshold. (FDR <0.05)